Compound Detail
CHEMBL168335
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COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCC(O)CN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL168335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQFOUXRMQZZLKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
6.15
ALogP
8
HBA
2
HBD
85.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 71.0 | nM | 7.15 | In vitro inhibition against autophosphorylation of Fibroblast growth factor rece... | 15012985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15012985 | 10.1016/j.bmcl.2003.12.019 | Fibroblast growth factor receptor 2 | 1 |
| 15012985 | 10.1016/j.bmcl.2003.12.019 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine